SCHEMBL6914488

SCHEMBL6914488

CSc1ccc(C(=O)CCC2(C)CNCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
HAO1 Q9UJM8 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
FLI1 Q01543 1/20 0.36
EWSR1 Q01844 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLK1 P53350 1/20 0.35
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL709166 0.77 ALDH1A1 (0.38) MMP2MMP9MMP8HAO1OPRM1
SCHEMBL29034966 0.75 ALDH1A1 (0.38) MMP2MMP9MMP8OPRM1OPRD1
SCHEMBL17511991 0.73 ALDH1A1 (0.35) MMP2MMP9MMP8OPRM1OPRD1
SCHEMBL27196604 0.73 LMNA (0.31) CYP2C19LMNACYP1A2CYP2C9
SCHEMBL28144913 0.71
SCHEMBL461531 0.69 HAO1 (0.51) MMP2MMP9MMP8HAO1FLI1
SCHEMBL28159643 0.69 SLC6A4 (0.33)
SCHEMBL23573619 0.68 AKR1C3 (0.35) ALDH1A1TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL7196791 0.67 L3MBTL1 (0.55) MMP2MMP9MMP8HAO1PLK1
SCHEMBL6755453 0.67 HSD17B3 (0.62) MMP2MMP9MMP8HAO1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727294-B2 RADIATION TRANSPARENT MOLDING MATERIALS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-04-27 US disclosed